CID 13529741

(3s,4s)-2,5-dimethylhexane-3,4-diamine dihydrochloride

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CC(C)C(C(C(C)C)N)N

InChI

InChI=1S/C8H20N2/c1-5(2)7(9)8(10)6(3)4/h5-8H,9-10H2,1-4H3

InChIKey

KQDYUNYMUMMKOL-UHFFFAOYSA-N

Compound name

2,5-dimethylhexane-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 144.16264 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.16992	137.2
[M+Na]+	167.15186	143.8
[M+NH4]+	162.19646	144.4
[M+K]+	183.12580	140.8
[M-H]-	143.15536	137.0
[M+Na-2H]-	165.13731	138.6
[M]+	144.16209	137.6
[M]-	144.16319	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe